AV18502
1823417-97-5 | 5-Benzyl 2-tert-butyl 8-(hydroxymethyl)-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18502
ChemicalName
5-Benzyl 2-tert-butyl 8-(hydroxymethyl)-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
CasNumber
1823417-97-5
MolecularFormula
C21H30N2O5
MolecularWeight
390.4733
MdlNumber
MFCD28119046
Smiles
OCC1CCN(C2(C1)CN(C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity
562
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AV18502
ChemicalName: 5-Benzyl 2-tert-butyl 8-(hydroxymethyl)-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
CasNumber: 1823417-97-5
MolecularFormula: C21H30N2O5
MolecularWeight: 390.4733
MdlNumber: MFCD28119046
Smiles: OCC1CCN(C2(C1)CN(C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity: 562
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AV18502
ChemicalName:
5-Benzyl 2-tert-butyl 8-(hydroxymethyl)-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
CasNumber:
1823417-97-5
MolecularFormula:
C21H30N2O5
MolecularWeight:
390.4733
MdlNumber:
MFCD28119046
Smiles:
OCC1CCN(C2(C1)CN(C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity:
562
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1sc2c(c1)nc(nc2N1CCOCC1)Cl)(O)C
Complexity: 355
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1sc2c(c1)nc(nc2N1CCOCC1)Cl)(O)C
Complexity:
355
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)Cc1ccc(c(c1)F)B(O)O
Complexity: 263
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)Cc1ccc(c(c1)F)B(O)O
Complexity:
263
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AV18506
ChemicalName: 5-Bromo-3,3-dimethyl-2,3-dihydro-1H-inden-1-ol
CasNumber: 124369-60-4
MolecularFormula: C11H13BrO
MolecularWeight: 241.1243
MdlNumber: MFCD27942516
Smiles: Brc1ccc2c(c1)C(C)(C)CC2O
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: 1
Xlogp3: 3
CatalogNumber:
AV18506
ChemicalName:
5-Bromo-3,3-dimethyl-2,3-dihydro-1H-inden-1-ol
CasNumber:
124369-60-4
MolecularFormula:
C11H13BrO
MolecularWeight:
241.1243
MdlNumber:
MFCD27942516
Smiles:
Brc1ccc2c(c1)C(C)(C)CC2O
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
1
Xlogp3:
3